November - 2018

Does the gradient-regulated connection improve the description of correlated metal bond properties?

International Journal of Quantum Chemistry DOI: 10.1002/qua.25831 Gradient‐regulated connection (GRAC) is a generalized gradient...

Emissive Azobenzenes Delivered on a Silver Coordination Polymer

Inorganic Chemistry 2018 DOI: 10.1021/acs.inorgchem.8b02845 Azobenzene has become a ubiquitous component of functional molecules and...

Chemical Theory and Modelling Group